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3119-94-6 | 3-ethylbenzothiazolium iodide
CAS No: 3119-94-6 Catalog No: AG00BFC3 MDL No:
Product Description
Catalog Number:
AG00BFC3
Chemical Name:
3-ethylbenzothiazolium iodide
CAS Number:
3119-94-6
IUPAC Name:
3-ethyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C9H10NS.HI/c1-2-10-7-11-9-6-4-3-5-8(9)10;/h3-7H,2H2,1H3;1H/q+1;/p-1
InChI Key:
BUSBIZJDTNTELP-UHFFFAOYSA-M
EC Number:
221-495-1
NSC Number:
126831
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.15g/mol
Monoisotopic Mass:
290.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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